(2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide

C25H22N6O2 — CID 172755951

IUPAC(2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide
SMILESCOc1cccc(-c2nc3c4ccccc4nc(-c4ccccc4C[C@@H](N)C(N)=O)n3n2)c1
InChIInChI=1S/C25H22N6O2/c1-33-17-9-6-8-16(13-17)23-29-25-19-11-4-5-12-21(19)28-24(31(25)30-23)18-10-3-2-7-15(18)14-20(26)22(27)32/h2-13,20H,14,26H2,1H3,(H2,27,32)/t20-/m1/s1
InChIKeyLAIJKBUKHOGOFV-HXUWFJFHSA-N
MW438.49 g/mol
LogP2.98
Rot. Bonds6

About (2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide

(2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide (PubChem CID 172755951) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide
PubChem CID172755951
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name(2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide
SMILESCOc1cccc(-c2nc3c4ccccc4nc(-c4ccccc4C[C@@H](N)C(N)=O)n3n2)c1
InChIInChI=1S/C25H22N6O2/c1-33-17-9-6-8-16(13-17)23-29-25-19-11-4-5-12-21(19)28-24(31(25)30-23)18-10-3-2-7-15(18)14-20(26)22(27)32/h2-13,20H,14,26H2,1H3,(H2,27,32)/t20-/m1/s1
InChIKeyLAIJKBUKHOGOFV-HXUWFJFHSA-N
XLogP2.98
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide?
The IUPAC name of (2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide (CID 172755951) is (2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide is COc1cccc(-c2nc3c4ccccc4nc(-c4ccccc4C[C@@H](N)C(N)=O)n3n2)c1.
What is the InChIKey of (2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide?
The InChIKey is LAIJKBUKHOGOFV-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-33-17-9-6-8-16(13-17)23-29-25-19-11-4-5-12-21(19)28-24(31(25)30-23)18-10-3-2-7-15(18)14-20(26)22(27)32/h2-13,20H,14,26H2,1H3,(H2,27,32)/t20-/m1/s1.
What are the key properties of (2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide?
(2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide has a molecular weight of 438.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide is sourced from PubChem (CID 172755951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).